5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine

C8H7FN4S — CID 80851344

IUPAC5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESNc1ncc(F)c(Nc2ccsc2)n1
InChIInChI=1S/C8H7FN4S/c9-6-3-11-8(10)13-7(6)12-5-1-2-14-4-5/h1-4H,(H3,10,11,12,13)
InChIKeyMVWQCNUVJQHBEQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.00
Rot. Bonds2

About 5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine

5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine (PubChem CID 80851344) has the molecular formula C8H7FN4S and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine
PubChem CID80851344
Molecular FormulaC8H7FN4S
Molecular Weight210.24 g/mol
Exact Mass210.04
IUPAC Name5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESNc1ncc(F)c(Nc2ccsc2)n1
InChIInChI=1S/C8H7FN4S/c9-6-3-11-8(10)13-7(6)12-5-1-2-14-4-5/h1-4H,(H3,10,11,12,13)
InChIKeyMVWQCNUVJQHBEQ-UHFFFAOYSA-N
XLogP2.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine (CID 80851344) is 5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine is Nc1ncc(F)c(Nc2ccsc2)n1.
What is the InChIKey of 5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The InChIKey is MVWQCNUVJQHBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4S/c9-6-3-11-8(10)13-7(6)12-5-1-2-14-4-5/h1-4H,(H3,10,11,12,13).
What are the key properties of 5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine has a molecular weight of 210.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80851344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).